N-benzyl-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide
TL;DR: N-benzyl-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide (CAS 189686-00-8) is a chemical compound with molecular formula C18H15N5OS and molecular weight 349.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide
Also Known As: CBKinase1_000214, CBKinase1_012614, N-benzyl-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide, 2-((2H-[1,2,4]Triazino[5,6-b]indol-3-yl)thio)-N-benzylacetamide, BRD-K28205881-001-01-0
| Molecular Formula | C18H15N5OS |
|---|---|
| Molecular Weight | 349.10 g/mol |
| LogP | 2.9146 |
| Topological Polar Surface Area | 83.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 349.09973 |
| Heavy Atoms | 25 |
| Complexity | 1031.4486 |
Chemical Identifiers
| CAS Number | 189686-00-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=O)CSC2=NC3=C(C4=CC=CC=C4N3)N=N2 |
Product Overview
N-benzyl-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide (CAS 189686-00-8), with molecular formula C18H15N5OS and molecular weight 349.10 g/mol. IUPAC: N-benzyl-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide.
Chemical Property Profile of N-benzyl-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide
Property Insights of N-benzyl-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide
The XLogP value of 2.9146 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzyl-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide. The TPSA of 83.56 Ų falls within the moderate polarity range, balancing permeability and solubility for N-benzyl-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide. Following Lipinski's Rule of Five, N-benzyl-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-benzyl-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide?
The CAS number of N-benzyl-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide is 189686-00-8.
What is the molecular formula of N-benzyl-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide?
The molecular formula of N-benzyl-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide is C18H15N5OS.
What is the molecular weight of N-benzyl-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide?
The molecular weight of N-benzyl-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide is 349.10 g/mol.
Where can I buy N-benzyl-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide?
You can request a quote for N-benzyl-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyl-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.